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Information card for entry 7040370
Preview
Coordinates | 7040370.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H64 Cu P Se |
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Calculated formula | C42 H64 Cu P Se |
SMILES | [Se]1[Cu]([P](CC)(CC)CC)[C]2(c3c1c(ccc3)c1c(C(C)C)cc(C(C)C)cc1C(C)C)=C(C=C(C(C)C)C=C2C(C)C)C(C)C |
Title of publication | Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands. |
Authors of publication | Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14265 - 14276 |
a | 12.9948 ± 0.001 Å |
b | 17.9243 ± 0.0013 Å |
c | 18.0827 ± 0.0014 Å |
α | 90° |
β | 109.086 ± 0.001° |
γ | 90° |
Cell volume | 3980.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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